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Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-554756
Created at: Sept. 4, 2022, 2:43 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 144
Number of elements: 5
Element list: ['P', 'H', 'C', 'N', 'O']
Chemical System: C-H-N-O-P
Density: 1.5905253871383653
Atomic Density: 0.10351541480211227
Unit Cell Volume: 1391.097164371906
Molar Volume: 5.817627037975331
Full Formula: P12 H72 C12 N12 O36
Reduced Formula: PH6CNO3
Formula Anonymous: ABCD3E6
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -862.36465412
Final energy per atom: -5.988643431388889
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.